2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile

C11H14N4 — CID 58826334

IUPAC2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
SMILESC[C@H]1CN(c2ncccc2C#N)CCN1
InChIInChI=1S/C11H14N4/c1-9-8-15(6-5-13-9)11-10(7-12)3-2-4-14-11/h2-4,9,13H,5-6,8H2,1H3/t9-/m0/s1
InChIKeyMWHUOOSPENTGPA-VIFPVBQESA-N
MW202.26 g/mol
LogP0.75
Rot. Bonds1

About 2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile

2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 58826334) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
PubChem CID58826334
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
SMILESC[C@H]1CN(c2ncccc2C#N)CCN1
InChIInChI=1S/C11H14N4/c1-9-8-15(6-5-13-9)11-10(7-12)3-2-4-14-11/h2-4,9,13H,5-6,8H2,1H3/t9-/m0/s1
InChIKeyMWHUOOSPENTGPA-VIFPVBQESA-N
XLogP0.75
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile
CID 167849231
1-(3-fluoro-2-pyridinyl)-3-methylpiperazine
CID 62734907
1-(3-bromo-2-pyridinyl)-3-methylpiperazine
CID 62478564
2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile
CID 66195251
2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile
CID 117045417
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
(3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 68719907
2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 94546211
3-methyl-2-(3-methylpiperazin-1-yl)benzonitrile
CID 107111425
2-thiomorpholin-4-ylpyridine-3-carbonitrile
CID 28787469
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile (CID 58826334) is 2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile is C[C@H]1CN(c2ncccc2C#N)CCN1.
What is the InChIKey of 2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is MWHUOOSPENTGPA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N4/c1-9-8-15(6-5-13-9)11-10(7-12)3-2-4-14-11/h2-4,9,13H,5-6,8H2,1H3/t9-/m0/s1.
What are the key properties of 2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile?
2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 58826334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).